CAS RN: 89131-11-3
Dabsyl-L-valine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTD1460
- Purity/Analytical Methods: >98.0%(HPLC)
89131-11-3 / 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
Basic Information
CAS
89131-11-3
Multi CAS
Yes
Molecular Formula
C19H24N4O4S
Molecular Weight
404.500000
Exact Mass
404.151826
InChI
InChI=1S/C19H24N4O4S/c1-13(2)18(19(24)25)22-28(26,27)17-11-7-15(8-12-17)21-20-14-5-9-16(10-6-14)23(3)4/h5-13,18,22H,1-4H3,(H,24,25)
InChIKey
AJSKPBGSGLIRQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
107.97
TPSA
111.43
LogP / Solubility
WLOGP
3.56
MLOGP
3.15
XLogP3
3.7
Consensus LogP
3.47
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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